2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine

C16H18N4O — CID 57185841

IUPAC2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine
SMILESCC1Oc2ccc(CN(C)c3cccnc3)cc2N=C1N
InChIInChI=1S/C16H18N4O/c1-11-16(17)19-14-8-12(5-6-15(14)21-11)10-20(2)13-4-3-7-18-9-13/h3-9,11H,10H2,1-2H3,(H2,17,19)
InChIKeyZOQQBRDQNPEYBC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.49
Rot. Bonds3

About 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine

2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine (PubChem CID 57185841) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine.

Molecular Properties

Compound Name2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine
PubChem CID57185841
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine
SMILESCC1Oc2ccc(CN(C)c3cccnc3)cc2N=C1N
InChIInChI=1S/C16H18N4O/c1-11-16(17)19-14-8-12(5-6-15(14)21-11)10-20(2)13-4-3-7-18-9-13/h3-9,11H,10H2,1-2H3,(H2,17,19)
InChIKeyZOQQBRDQNPEYBC-UHFFFAOYSA-N
XLogP2.49
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine?
The IUPAC name of 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine (CID 57185841) is 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine.
What is the SMILES notation for 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine?
The canonical SMILES for 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine is CC1Oc2ccc(CN(C)c3cccnc3)cc2N=C1N.
What is the InChIKey of 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine?
The InChIKey is ZOQQBRDQNPEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-16(17)19-14-8-12(5-6-15(14)21-11)10-20(2)13-4-3-7-18-9-13/h3-9,11H,10H2,1-2H3,(H2,17,19).
What are the key properties of 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine?
2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine has a molecular weight of 282.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[methyl(pyridin-3-yl)amino]methyl]-2H-1,4-benzoxazin-3-amine is sourced from PubChem (CID 57185841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).